SCHEMBL31287367

SCHEMBL31287367

Cc1cc(Br)cc(OC2CC2)c1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ PTGES O14684 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ GRIN2D O15399 3/20 0.33
▸ GRIN3B O60391 3/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25902175 0.82 CYP19A1 (0.37) CYP19A1ALDH1A1MAPTMEN1KMT2A
SCHEMBL26831181 0.82 CYP19A1 (0.34) CYP19A1ALDH1A1MAPTMEN1KMT2A
SCHEMBL540061 0.76 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL21713775 0.74 ALDH1A1 (0.40) CYP19A1ALDH1A1MAPTMEN1KMT2A
SCHEMBL25413980 0.73 MAPT (0.47) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL38658370 0.73 CYP1A2 (0.39) CYP19A1ALDH1A1MAPTMEN1KMT2A
SCHEMBL29400244 0.73 MAPT (0.47) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL17303740 0.73 CYP1A2 (0.42) CYP19A1ALDH1A1MAPTMEN1KMT2A
SCHEMBL21713637 0.72 CYP19A1 (0.36) CYP19A1ALDH1A1MAPTMEN1KMT2A
SCHEMBL31287368 0.72 POLB (0.33) ALDH1A1TSHRCYP3A4TDP1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4694889-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN AGGREGATION DISEASES Acelot, Inc. (US) 2026-02-18 — — EP disclosed
WO-2024216203-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN AGGREGATION DISEASES ACELOT, INC. (US) 2024-10-17 — — WO disclosed
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